Chemical Substance attributes
ChEMBL ID
CHEMBL809
CAS Registry Number
79617-96-2
Canonical SMILES
CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
PDB Ligand ID
SRE
DSSTox ID
DTXSID6023577
UNII
QUC7NX6WMB
WHO International Nonproprietary Name
sertraline
Other attributes
Wikidata ID
Overview
Sertraline, also known by its World Health Organization International Nonproprietary Name (WHO INN) as sertraline, is a chemical compound with the CAS number 79617-96-2. Its canonical SMILES notation is CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl. Sertraline is indicated in the CHEMBL database with the identifier CHEMBL809.
The compound is also referenced in the DSSTox database with the ID DTXSID6023577 and in the Protein Data Bank (PDB) as a ligand with the identifier SRE. Sertraline has a Unique Ingredient Identifier (UNII) of QUC7NX6WMB.
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